(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate

C16H23NO2 — CID 64731834

IUPAC(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC1CC(C)CC(C)C1
InChIInChI=1S/C16H23NO2/c1-11-8-12(2)10-13(9-11)19-16(18)14-6-4-5-7-15(14)17-3/h4-7,11-13,17H,8-10H2,1-3H3
InChIKeyIESWVDDIYQPAIE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.71
Rot. Bonds3

About (3,5-dimethylcyclohexyl) 2-(methylamino)benzoate

(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate (PubChem CID 64731834) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 2-(methylamino)benzoate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate
PubChem CID64731834
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC1CC(C)CC(C)C1
InChIInChI=1S/C16H23NO2/c1-11-8-12(2)10-13(9-11)19-16(18)14-6-4-5-7-15(14)17-3/h4-7,11-13,17H,8-10H2,1-3H3
InChIKeyIESWVDDIYQPAIE-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl 2-(methylamino)benzoate
CID 61278607
cyclobutyl 2-(methylamino)benzoate
CID 62217404
cyclohexyl 2-(methylamino)benzoate
CID 61278808
(3,5-dimethylcyclohexyl) 2-sulfanylbenzoate
CID 107018891
(3,5-dimethylcyclohexyl) benzoate
CID 15157091
(3,5-dimethylcyclohexyl) 2-bromopyridine-3-carboxylate
CID 114036367
(3,5-dimethylcyclohexyl) 2-chloropyridine-3-carboxylate
CID 64733997
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
phosphanyl 2-(methylamino)benzoate
CID 174258583
[(3S,5R)-3,5-dimethylcyclohexyl] furan-2-carboxylate
CID 849243
(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoate
CID 23874506
[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] 2-(methylamino)benzoate
CID 51693364

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) 2-(methylamino)benzoate?
The IUPAC name of (3,5-dimethylcyclohexyl) 2-(methylamino)benzoate (CID 64731834) is (3,5-dimethylcyclohexyl) 2-(methylamino)benzoate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 2-(methylamino)benzoate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 2-(methylamino)benzoate is CNc1ccccc1C(=O)OC1CC(C)CC(C)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) 2-(methylamino)benzoate?
The InChIKey is IESWVDDIYQPAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-12(2)10-13(9-11)19-16(18)14-6-4-5-7-15(14)17-3/h4-7,11-13,17H,8-10H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl) 2-(methylamino)benzoate?
(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate has a molecular weight of 261.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) 2-(methylamino)benzoate is sourced from PubChem (CID 64731834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).